Geometry & MOs

Info

ID:	267272
PubChem CID:	103581585
Reduced:	BrClN2C16H24 (1)
Stoich.:	ABC2D16E24 (1)
Weight, g/mol:	344.0291
ΔH_f, kcal/mol:	-8.34
Dipole, Da:	3.86
IP(EA), eV:	-8.59(-0.44)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[2-[(4-bromo-3-chlorophenyl)methylamino]propyl]pyrrolidin-2-one

Drug info:

PubChemData

Smile

CC(C)(C)N1CCC(CC1)NCC2=CC(=C(C=C2)Br)Cl

DOS

IR

Vibrations